Crystallography Open Database

Information card for entry 7133378

Preview

Coordinates	7133378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 Fe N8
Calculated formula	C30 H28 Cl2 Fe N8
Title of publication	Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.
Authors of publication	Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	67
Pages of publication	8912 - 8915
a	31.3189 ± 0.0013 Å
b	12.0713 ± 0.0005 Å
c	16.0669 ± 0.0007 Å
α	90°
β	107.591 ± 0.001°
γ	90°
Cell volume	5790.2 ± 0.4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294456 (current)	2024-09-06	cif/ Updating files of 7133376, 7133377, 7133378, 7133379, 7133380 Original log message: Adding full bibliography for 7133376--7133380.cif.	7133378.cif
293495	2024-07-23	cif/ Adding structures of 7133376, 7133377, 7133378, 7133379, 7133380 via cif-deposit CGI script.	7133378.cif